769151-28-2
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
FormulaC23 H16 Br Cl2 N3 O4
1Identification
【Name】
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153704
【English Synonyms】
【Formula】
C23 H16 Br Cl2 N3 O4
【MolWeight】
549.206
【Inchi】
InChI=1S/C23H16BrCl2N3O4/c24-17-7-9-20(33-23(32)14-4-2-1-3-5-14)16(10-17)12-28-29-21(30)13-27-22(31)15-6-8-18(25)19(26)11-15/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
【InChIKey】
InChIKey=KPDDMHBFECVXIX-KVSWJAHQSA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)CNC(=O)c3ccc(c(c3)Cl)Cl)Br
【MOL File】
4-BR-2-(2-(((3,4-DIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(((3,4-DICHLOROBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml